USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.015) USER MOD Single : A 74 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.0092) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 84 HIS : no HD1:sc= -7.22! C(o=-7.2!,f=-5.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.41 USER MOD Single : A 98 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.3) USER MOD Single : A 99 MET CE :methyl -158:sc= -8.8! (180deg=-10!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.834 -6.650 -16.530 1.00 0.00 N ATOM 149 CA GLU A 13 -6.964 -6.981 -15.416 1.00 0.00 C ATOM 150 C GLU A 13 -6.178 -5.746 -14.971 1.00 0.00 C ATOM 151 O GLU A 13 -5.700 -4.977 -15.803 1.00 0.00 O ATOM 152 CB GLU A 13 -6.021 -8.130 -15.779 1.00 0.00 C ATOM 153 CG GLU A 13 -4.964 -7.674 -16.787 1.00 0.00 C ATOM 154 CD GLU A 13 -4.018 -8.821 -17.148 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.440 -9.669 -17.963 1.00 0.00 O ATOM 156 OE2 GLU A 13 -2.895 -8.824 -16.599 1.00 0.00 O ATOM 0 HA GLU A 13 -7.584 -7.313 -14.583 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.533 -8.503 -14.879 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.594 -8.958 -16.197 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.452 -7.303 -17.688 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.393 -6.845 -16.370 1.00 0.00 H new ATOM 163 N GLU A 14 -6.068 -5.595 -13.659 1.00 0.00 N ATOM 164 CA GLU A 14 -5.348 -4.467 -13.093 1.00 0.00 C ATOM 165 C GLU A 14 -4.109 -4.153 -13.934 1.00 0.00 C ATOM 166 O GLU A 14 -3.503 -5.052 -14.513 1.00 0.00 O ATOM 167 CB GLU A 14 -4.968 -4.734 -11.636 1.00 0.00 C ATOM 168 CG GLU A 14 -6.096 -4.319 -10.690 1.00 0.00 C ATOM 169 CD GLU A 14 -6.908 -5.534 -10.237 1.00 0.00 C ATOM 170 OE1 GLU A 14 -6.291 -6.434 -9.628 1.00 0.00 O ATOM 171 OE2 GLU A 14 -8.128 -5.536 -10.511 1.00 0.00 O ATOM 0 H GLU A 14 -6.466 -6.235 -12.972 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.005 -3.597 -13.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.748 -5.793 -11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.060 -4.185 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.678 -3.812 -9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.751 -3.606 -11.190 1.00 0.00 H new ATOM 178 N GLU A 15 -3.770 -2.872 -13.974 1.00 0.00 N ATOM 179 CA GLU A 15 -2.614 -2.428 -14.734 1.00 0.00 C ATOM 180 C GLU A 15 -1.565 -1.821 -13.800 1.00 0.00 C ATOM 181 O GLU A 15 -1.853 -1.541 -12.637 1.00 0.00 O ATOM 182 CB GLU A 15 -3.023 -1.432 -15.821 1.00 0.00 C ATOM 183 CG GLU A 15 -4.025 -0.410 -15.279 1.00 0.00 C ATOM 184 CD GLU A 15 -4.390 0.620 -16.350 1.00 0.00 C ATOM 185 OE1 GLU A 15 -4.863 0.182 -17.421 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.189 1.822 -16.073 1.00 0.00 O ATOM 0 H GLU A 15 -4.276 -2.128 -13.493 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.174 -3.294 -15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.140 -0.916 -16.198 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.463 -1.967 -16.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.925 -0.922 -14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.601 0.096 -14.412 1.00 0.00 H new ATOM 193 N GLU A 16 -0.372 -1.635 -14.344 1.00 0.00 N ATOM 194 CA GLU A 16 0.721 -1.066 -13.573 1.00 0.00 C ATOM 195 C GLU A 16 0.646 0.462 -13.594 1.00 0.00 C ATOM 196 O GLU A 16 0.407 1.061 -14.642 1.00 0.00 O ATOM 197 CB GLU A 16 2.073 -1.556 -14.095 1.00 0.00 C ATOM 198 CG GLU A 16 2.406 -2.942 -13.539 1.00 0.00 C ATOM 199 CD GLU A 16 2.904 -3.872 -14.647 1.00 0.00 C ATOM 200 OE1 GLU A 16 3.707 -3.391 -15.475 1.00 0.00 O ATOM 201 OE2 GLU A 16 2.469 -5.044 -14.641 1.00 0.00 O ATOM 0 H GLU A 16 -0.138 -1.868 -15.309 1.00 0.00 H new ATOM 0 HA GLU A 16 0.624 -1.401 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.055 -1.592 -15.184 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.854 -0.850 -13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.167 -2.854 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.521 -3.371 -13.069 1.00 0.00 H new ATOM 208 N LEU A 17 0.856 1.049 -12.425 1.00 0.00 N ATOM 209 CA LEU A 17 0.815 2.496 -12.296 1.00 0.00 C ATOM 210 C LEU A 17 1.978 2.958 -11.416 1.00 0.00 C ATOM 211 O LEU A 17 2.436 2.217 -10.547 1.00 0.00 O ATOM 212 CB LEU A 17 -0.556 2.950 -11.792 1.00 0.00 C ATOM 213 CG LEU A 17 -1.747 2.089 -12.218 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.938 2.296 -11.280 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.117 2.349 -13.680 1.00 0.00 C ATOM 0 H LEU A 17 1.055 0.549 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 17 0.944 2.969 -13.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.528 2.983 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.728 3.969 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.455 1.042 -12.141 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.770 1.672 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.654 2.020 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.240 3.343 -11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.966 1.724 -13.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.382 3.399 -13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.267 2.109 -14.319 1.00 0.00 H new ATOM 227 N THR A 18 2.421 4.180 -11.670 1.00 0.00 N ATOM 228 CA THR A 18 3.522 4.750 -10.911 1.00 0.00 C ATOM 229 C THR A 18 3.124 6.110 -10.335 1.00 0.00 C ATOM 230 O THR A 18 2.657 6.984 -11.063 1.00 0.00 O ATOM 231 CB THR A 18 4.745 4.812 -11.828 1.00 0.00 C ATOM 232 OG1 THR A 18 4.922 3.467 -12.263 1.00 0.00 O ATOM 233 CG2 THR A 18 6.033 5.129 -11.064 1.00 0.00 C ATOM 0 H THR A 18 2.038 4.792 -12.391 1.00 0.00 H new ATOM 0 HA THR A 18 3.774 4.129 -10.051 1.00 0.00 H new ATOM 0 HB THR A 18 4.584 5.567 -12.598 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.694 3.417 -12.864 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.871 5.161 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.934 6.096 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.212 4.356 -10.317 1.00 0.00 H new ATOM 241 N LEU A 19 3.325 6.246 -9.032 1.00 0.00 N ATOM 242 CA LEU A 19 2.993 7.485 -8.350 1.00 0.00 C ATOM 243 C LEU A 19 4.252 8.051 -7.688 1.00 0.00 C ATOM 244 O LEU A 19 5.158 7.301 -7.327 1.00 0.00 O ATOM 245 CB LEU A 19 1.833 7.267 -7.377 1.00 0.00 C ATOM 246 CG LEU A 19 0.470 6.981 -8.012 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.481 6.335 -7.002 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.124 8.248 -8.630 1.00 0.00 C ATOM 0 H LEU A 19 3.713 5.519 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 19 2.644 8.231 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.087 6.435 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.740 8.153 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 19 0.614 6.265 -8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.442 6.142 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.055 5.395 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.624 7.007 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.092 8.017 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.251 9.005 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.548 8.626 -9.401 1.00 0.00 H new ATOM 260 N THR A 20 4.267 9.368 -7.550 1.00 0.00 N ATOM 261 CA THR A 20 5.400 10.043 -6.938 1.00 0.00 C ATOM 262 C THR A 20 4.962 10.776 -5.669 1.00 0.00 C ATOM 263 O THR A 20 4.099 11.651 -5.720 1.00 0.00 O ATOM 264 CB THR A 20 6.024 10.965 -7.987 1.00 0.00 C ATOM 265 OG1 THR A 20 6.191 10.128 -9.129 1.00 0.00 O ATOM 266 CG2 THR A 20 7.449 11.386 -7.623 1.00 0.00 C ATOM 0 H THR A 20 3.514 9.986 -7.851 1.00 0.00 H new ATOM 0 HA THR A 20 6.160 9.330 -6.618 1.00 0.00 H new ATOM 0 HB THR A 20 5.402 11.852 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.589 10.646 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.845 12.039 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.439 11.918 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.079 10.501 -7.537 1.00 0.00 H new ATOM 274 N ILE A 21 5.577 10.393 -4.560 1.00 0.00 N ATOM 275 CA ILE A 21 5.261 11.003 -3.279 1.00 0.00 C ATOM 276 C ILE A 21 6.402 11.936 -2.869 1.00 0.00 C ATOM 277 O ILE A 21 7.540 11.758 -3.301 1.00 0.00 O ATOM 278 CB ILE A 21 4.941 9.928 -2.238 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.809 9.018 -2.720 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.631 10.558 -0.878 1.00 0.00 C ATOM 281 CD1 ILE A 21 4.038 7.574 -2.271 1.00 0.00 C ATOM 0 H ILE A 21 6.293 9.667 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 21 4.362 11.614 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 21 5.824 9.302 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.857 9.378 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.743 9.058 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.407 9.773 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.494 11.129 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.771 11.221 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.219 6.948 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.979 7.210 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.079 7.534 -1.183 1.00 0.00 H new ATOM 293 N LEU A 22 6.057 12.911 -2.041 1.00 0.00 N ATOM 294 CA LEU A 22 7.038 13.873 -1.567 1.00 0.00 C ATOM 295 C LEU A 22 7.306 13.632 -0.080 1.00 0.00 C ATOM 296 O LEU A 22 6.380 13.370 0.686 1.00 0.00 O ATOM 297 CB LEU A 22 6.588 15.299 -1.888 1.00 0.00 C ATOM 298 CG LEU A 22 7.252 15.956 -3.099 1.00 0.00 C ATOM 299 CD1 LEU A 22 6.922 17.449 -3.163 1.00 0.00 C ATOM 300 CD2 LEU A 22 8.761 15.703 -3.101 1.00 0.00 C ATOM 0 H LEU A 22 5.112 13.056 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 22 7.986 13.738 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.510 15.291 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.774 15.923 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 22 6.847 15.497 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.407 17.892 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.843 17.580 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.281 17.940 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.209 16.181 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.201 16.118 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.950 14.630 -3.138 1.00 0.00 H new ATOM 312 N ARG A 23 8.577 13.728 0.283 1.00 0.00 N ATOM 313 CA ARG A 23 8.978 13.524 1.664 1.00 0.00 C ATOM 314 C ARG A 23 9.680 14.772 2.203 1.00 0.00 C ATOM 315 O ARG A 23 10.837 15.029 1.874 1.00 0.00 O ATOM 316 CB ARG A 23 9.917 12.323 1.793 1.00 0.00 C ATOM 317 CG ARG A 23 10.678 12.362 3.120 1.00 0.00 C ATOM 318 CD ARG A 23 11.596 11.146 3.261 1.00 0.00 C ATOM 319 NE ARG A 23 12.216 11.134 4.605 1.00 0.00 N ATOM 320 CZ ARG A 23 13.370 10.517 4.895 1.00 0.00 C ATOM 321 NH1 ARG A 23 14.036 9.858 3.937 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.857 10.558 6.142 1.00 0.00 N ATOM 0 H ARG A 23 9.342 13.944 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 23 8.077 13.330 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.343 11.399 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.625 12.319 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.268 13.277 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.970 12.386 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.026 10.230 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.370 11.173 2.494 1.00 0.00 H new ATOM 0 HE ARG A 23 11.735 11.626 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.665 9.826 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.914 9.388 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.350 11.059 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.735 10.088 6.362 1.00 0.00 H new ATOM 381 N LEU A 28 6.120 8.757 4.721 1.00 0.00 N ATOM 382 CA LEU A 28 4.904 9.048 3.980 1.00 0.00 C ATOM 383 C LEU A 28 3.703 8.956 4.924 1.00 0.00 C ATOM 384 O LEU A 28 3.868 8.913 6.142 1.00 0.00 O ATOM 385 CB LEU A 28 4.793 8.140 2.754 1.00 0.00 C ATOM 386 CG LEU A 28 6.069 7.974 1.925 1.00 0.00 C ATOM 387 CD1 LEU A 28 5.866 6.950 0.806 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.553 9.322 1.388 1.00 0.00 C ATOM 0 HA LEU A 28 4.929 10.066 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.468 7.154 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.010 8.533 2.105 1.00 0.00 H new ATOM 0 HG LEU A 28 6.852 7.588 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.787 6.851 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.603 5.985 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.063 7.284 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.461 9.176 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.781 9.761 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.763 9.992 2.222 1.00 0.00 H new ATOM 400 N GLY A 29 2.522 8.929 4.325 1.00 0.00 N ATOM 401 CA GLY A 29 1.294 8.844 5.097 1.00 0.00 C ATOM 402 C GLY A 29 0.361 7.773 4.526 1.00 0.00 C ATOM 403 O GLY A 29 -0.740 8.081 4.074 1.00 0.00 O ATOM 0 H GLY A 29 2.389 8.964 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.528 8.611 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.790 9.810 5.093 1.00 0.00 H new ATOM 407 N ILE A 30 0.837 6.537 4.567 1.00 0.00 N ATOM 408 CA ILE A 30 0.059 5.419 4.059 1.00 0.00 C ATOM 409 C ILE A 30 0.309 4.191 4.936 1.00 0.00 C ATOM 410 O ILE A 30 1.197 4.201 5.787 1.00 0.00 O ATOM 411 CB ILE A 30 0.359 5.188 2.577 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.860 5.281 2.299 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.447 6.147 1.699 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.381 3.990 1.664 1.00 0.00 C ATOM 0 H ILE A 30 1.751 6.285 4.944 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.007 5.639 4.114 1.00 0.00 H new ATOM 0 HB ILE A 30 0.047 4.176 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.059 6.123 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.394 5.474 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.215 5.962 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.512 5.988 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.189 7.175 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.451 4.083 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.202 3.154 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.862 3.812 0.722 1.00 0.00 H new ATOM 426 N SER A 31 -0.491 3.161 4.699 1.00 0.00 N ATOM 427 CA SER A 31 -0.368 1.928 5.456 1.00 0.00 C ATOM 428 C SER A 31 -0.303 0.733 4.503 1.00 0.00 C ATOM 429 O SER A 31 -1.013 0.695 3.499 1.00 0.00 O ATOM 430 CB SER A 31 -1.533 1.764 6.434 1.00 0.00 C ATOM 431 OG SER A 31 -1.434 2.660 7.538 1.00 0.00 O ATOM 0 H SER A 31 -1.227 3.156 3.993 1.00 0.00 H new ATOM 0 HA SER A 31 0.554 1.973 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.473 1.937 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.557 0.738 6.801 1.00 0.00 H new ATOM 0 HG SER A 31 -2.197 2.525 8.138 1.00 0.00 H new ATOM 437 N ILE A 32 0.555 -0.215 4.851 1.00 0.00 N ATOM 438 CA ILE A 32 0.722 -1.408 4.039 1.00 0.00 C ATOM 439 C ILE A 32 0.272 -2.632 4.840 1.00 0.00 C ATOM 440 O ILE A 32 0.272 -2.608 6.070 1.00 0.00 O ATOM 441 CB ILE A 32 2.158 -1.507 3.521 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.152 -1.626 4.678 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.490 -0.332 2.598 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.495 -2.174 4.192 1.00 0.00 C ATOM 0 H ILE A 32 1.142 -0.181 5.685 1.00 0.00 H new ATOM 0 HA ILE A 32 0.090 -1.356 3.152 1.00 0.00 H new ATOM 0 HB ILE A 32 2.245 -2.417 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.299 -0.649 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.744 -2.282 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.516 -0.426 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.810 -0.335 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.380 0.604 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.184 -2.249 5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.348 -3.161 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.912 -1.503 3.441 1.00 0.00 H new ATOM 456 N ALA A 33 -0.100 -3.673 4.110 1.00 0.00 N ATOM 457 CA ALA A 33 -0.551 -4.904 4.737 1.00 0.00 C ATOM 458 C ALA A 33 -0.267 -6.081 3.802 1.00 0.00 C ATOM 459 O ALA A 33 -0.285 -5.928 2.582 1.00 0.00 O ATOM 460 CB ALA A 33 -2.036 -4.784 5.088 1.00 0.00 C ATOM 0 H ALA A 33 -0.098 -3.690 3.090 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.009 -5.082 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.374 -5.707 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.181 -3.952 5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.612 -4.608 4.179 1.00 0.00 H new ATOM 466 N GLY A 34 -0.010 -7.230 4.411 1.00 0.00 N ATOM 467 CA GLY A 34 0.278 -8.433 3.648 1.00 0.00 C ATOM 468 C GLY A 34 1.709 -8.912 3.901 1.00 0.00 C ATOM 469 O GLY A 34 2.088 -9.173 5.041 1.00 0.00 O ATOM 0 H GLY A 34 0.005 -7.353 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.426 -9.219 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.139 -8.236 2.585 1.00 0.00 H new ATOM 473 N GLY A 35 2.465 -9.014 2.817 1.00 0.00 N ATOM 474 CA GLY A 35 3.846 -9.457 2.907 1.00 0.00 C ATOM 475 C GLY A 35 3.922 -10.949 3.237 1.00 0.00 C ATOM 476 O GLY A 35 3.183 -11.438 4.090 1.00 0.00 O ATOM 0 H GLY A 35 2.147 -8.797 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.356 -9.263 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.366 -8.884 3.674 1.00 0.00 H new ATOM 480 N LYS A 36 4.823 -11.631 2.545 1.00 0.00 N ATOM 481 CA LYS A 36 5.006 -13.057 2.755 1.00 0.00 C ATOM 482 C LYS A 36 5.246 -13.323 4.243 1.00 0.00 C ATOM 483 O LYS A 36 6.002 -12.601 4.892 1.00 0.00 O ATOM 484 CB LYS A 36 6.114 -13.594 1.847 1.00 0.00 C ATOM 485 CG LYS A 36 6.524 -15.009 2.261 1.00 0.00 C ATOM 486 CD LYS A 36 7.766 -15.467 1.494 1.00 0.00 C ATOM 487 CE LYS A 36 7.429 -15.763 0.032 1.00 0.00 C ATOM 488 NZ LYS A 36 7.487 -17.219 -0.228 1.00 0.00 N ATOM 0 H LYS A 36 5.434 -11.222 1.838 1.00 0.00 H new ATOM 0 HA LYS A 36 4.104 -13.602 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.771 -13.599 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.979 -12.933 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.724 -15.035 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.701 -15.699 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.534 -14.695 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.179 -16.360 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.434 -15.385 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.129 -15.243 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.256 -17.403 -1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.444 -17.570 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.802 -17.708 0.382 1.00 0.00 H new ATOM 502 N GLY A 37 4.589 -14.361 4.739 1.00 0.00 N ATOM 503 CA GLY A 37 4.722 -14.731 6.138 1.00 0.00 C ATOM 504 C GLY A 37 3.458 -14.372 6.922 1.00 0.00 C ATOM 505 O GLY A 37 2.966 -15.174 7.714 1.00 0.00 O ATOM 0 H GLY A 37 3.963 -14.957 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.913 -15.801 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.581 -14.221 6.573 1.00 0.00 H new ATOM 509 N SER A 38 2.969 -13.166 6.674 1.00 0.00 N ATOM 510 CA SER A 38 1.772 -12.691 7.348 1.00 0.00 C ATOM 511 C SER A 38 0.548 -12.909 6.455 1.00 0.00 C ATOM 512 O SER A 38 0.680 -13.333 5.308 1.00 0.00 O ATOM 513 CB SER A 38 1.900 -11.213 7.721 1.00 0.00 C ATOM 514 OG SER A 38 1.234 -10.911 8.944 1.00 0.00 O ATOM 0 H SER A 38 3.380 -12.504 6.016 1.00 0.00 H new ATOM 0 HA SER A 38 1.649 -13.261 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.954 -10.951 7.808 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.485 -10.600 6.921 1.00 0.00 H new ATOM 0 HG SER A 38 1.341 -9.958 9.148 1.00 0.00 H new ATOM 520 N THR A 39 -0.614 -12.610 7.016 1.00 0.00 N ATOM 521 CA THR A 39 -1.860 -12.769 6.286 1.00 0.00 C ATOM 522 C THR A 39 -1.944 -11.751 5.147 1.00 0.00 C ATOM 523 O THR A 39 -1.464 -10.626 5.279 1.00 0.00 O ATOM 524 CB THR A 39 -3.012 -12.657 7.287 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.037 -13.928 7.931 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.376 -12.561 6.601 1.00 0.00 C ATOM 0 H THR A 39 -0.719 -12.258 7.968 1.00 0.00 H new ATOM 0 HA THR A 39 -1.918 -13.748 5.810 1.00 0.00 H new ATOM 0 HB THR A 39 -2.860 -11.781 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.755 -13.943 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.158 -12.483 7.356 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.400 -11.679 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.543 -13.452 5.996 1.00 0.00 H new ATOM 534 N PRO A 40 -2.573 -12.193 4.025 1.00 0.00 N ATOM 535 CA PRO A 40 -2.726 -11.333 2.864 1.00 0.00 C ATOM 536 C PRO A 40 -3.812 -10.282 3.100 1.00 0.00 C ATOM 537 O PRO A 40 -4.639 -10.429 3.998 1.00 0.00 O ATOM 538 CB PRO A 40 -3.051 -12.276 1.717 1.00 0.00 C ATOM 539 CG PRO A 40 -3.525 -13.569 2.361 1.00 0.00 C ATOM 540 CD PRO A 40 -3.153 -13.519 3.834 1.00 0.00 C ATOM 0 HA PRO A 40 -1.827 -10.756 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.823 -11.855 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.174 -12.449 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.603 -13.682 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.060 -14.429 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.027 -13.664 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.441 -14.303 4.089 1.00 0.00 H new ATOM 548 N TYR A 41 -3.773 -9.243 2.278 1.00 0.00 N ATOM 549 CA TYR A 41 -4.744 -8.167 2.385 1.00 0.00 C ATOM 550 C TYR A 41 -5.965 -8.440 1.505 1.00 0.00 C ATOM 551 O TYR A 41 -7.091 -8.120 1.883 1.00 0.00 O ATOM 552 CB TYR A 41 -4.036 -6.909 1.879 1.00 0.00 C ATOM 553 CG TYR A 41 -4.884 -5.639 1.971 1.00 0.00 C ATOM 554 CD1 TYR A 41 -4.960 -4.945 3.162 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.572 -5.186 0.864 1.00 0.00 C ATOM 556 CE1 TYR A 41 -5.758 -3.750 3.249 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.369 -3.990 0.951 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.423 -3.331 2.139 1.00 0.00 C ATOM 559 OH TYR A 41 -7.177 -2.202 2.221 1.00 0.00 O ATOM 0 H TYR A 41 -3.084 -9.124 1.535 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.093 -8.066 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.120 -6.764 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.742 -7.063 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.421 -5.299 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.513 -5.729 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.827 -3.199 4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.912 -3.625 0.092 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.593 -2.023 1.352 1.00 0.00 H new ATOM 569 N LYS A 42 -5.701 -9.029 0.348 1.00 0.00 N ATOM 570 CA LYS A 42 -6.765 -9.349 -0.589 1.00 0.00 C ATOM 571 C LYS A 42 -6.694 -10.835 -0.946 1.00 0.00 C ATOM 572 O LYS A 42 -5.711 -11.292 -1.527 1.00 0.00 O ATOM 573 CB LYS A 42 -6.705 -8.421 -1.804 1.00 0.00 C ATOM 574 CG LYS A 42 -7.636 -7.220 -1.623 1.00 0.00 C ATOM 575 CD LYS A 42 -7.239 -6.074 -2.554 1.00 0.00 C ATOM 576 CE LYS A 42 -8.447 -5.563 -3.341 1.00 0.00 C ATOM 577 NZ LYS A 42 -8.439 -4.084 -3.402 1.00 0.00 N ATOM 0 H LYS A 42 -4.766 -9.293 0.038 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.740 -9.177 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.682 -8.074 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.987 -8.972 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.664 -7.519 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.601 -6.881 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.809 -5.259 -1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.467 -6.413 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.431 -5.974 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.367 -5.908 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.266 -3.754 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.476 -3.697 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.569 -3.761 -3.872 1.00 0.00 H new ATOM 591 N GLY A 43 -7.750 -11.549 -0.582 1.00 0.00 N ATOM 592 CA GLY A 43 -7.820 -12.974 -0.857 1.00 0.00 C ATOM 593 C GLY A 43 -6.477 -13.653 -0.580 1.00 0.00 C ATOM 594 O GLY A 43 -5.740 -13.237 0.312 1.00 0.00 O ATOM 0 H GLY A 43 -8.563 -11.167 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.595 -13.429 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.105 -13.134 -1.897 1.00 0.00 H new ATOM 598 N ASP A 44 -6.200 -14.685 -1.363 1.00 0.00 N ATOM 599 CA ASP A 44 -4.958 -15.425 -1.214 1.00 0.00 C ATOM 600 C ASP A 44 -3.888 -14.804 -2.114 1.00 0.00 C ATOM 601 O ASP A 44 -3.458 -15.419 -3.089 1.00 0.00 O ATOM 602 CB ASP A 44 -5.135 -16.887 -1.630 1.00 0.00 C ATOM 603 CG ASP A 44 -6.034 -17.109 -2.847 1.00 0.00 C ATOM 604 OD1 ASP A 44 -6.250 -16.120 -3.581 1.00 0.00 O ATOM 605 OD2 ASP A 44 -6.485 -18.262 -3.017 1.00 0.00 O ATOM 0 H ASP A 44 -6.814 -15.026 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.663 -15.381 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.153 -17.310 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.547 -17.442 -0.787 1.00 0.00 H new ATOM 610 N ASP A 45 -3.488 -13.593 -1.755 1.00 0.00 N ATOM 611 CA ASP A 45 -2.476 -12.882 -2.518 1.00 0.00 C ATOM 612 C ASP A 45 -1.390 -12.375 -1.567 1.00 0.00 C ATOM 613 O ASP A 45 -1.592 -11.395 -0.853 1.00 0.00 O ATOM 614 CB ASP A 45 -3.077 -11.672 -3.236 1.00 0.00 C ATOM 615 CG ASP A 45 -3.822 -11.995 -4.533 1.00 0.00 C ATOM 616 OD1 ASP A 45 -4.857 -12.689 -4.436 1.00 0.00 O ATOM 617 OD2 ASP A 45 -3.340 -11.539 -5.593 1.00 0.00 O ATOM 0 H ASP A 45 -3.846 -13.086 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.063 -13.571 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.764 -11.169 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.277 -10.967 -3.460 1.00 0.00 H new ATOM 622 N GLU A 46 -0.259 -13.067 -1.589 1.00 0.00 N ATOM 623 CA GLU A 46 0.860 -12.699 -0.739 1.00 0.00 C ATOM 624 C GLU A 46 1.570 -11.466 -1.299 1.00 0.00 C ATOM 625 O GLU A 46 2.771 -11.502 -1.562 1.00 0.00 O ATOM 626 CB GLU A 46 1.834 -13.868 -0.579 1.00 0.00 C ATOM 627 CG GLU A 46 2.377 -14.319 -1.937 1.00 0.00 C ATOM 628 CD GLU A 46 1.749 -15.647 -2.365 1.00 0.00 C ATOM 629 OE1 GLU A 46 1.805 -16.591 -1.547 1.00 0.00 O ATOM 630 OE2 GLU A 46 1.227 -15.688 -3.500 1.00 0.00 O ATOM 0 H GLU A 46 -0.095 -13.880 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 46 0.474 -12.453 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.660 -13.572 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.330 -14.702 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.169 -13.556 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.460 -14.426 -1.882 1.00 0.00 H new ATOM 637 N GLY A 47 0.798 -10.402 -1.465 1.00 0.00 N ATOM 638 CA GLY A 47 1.338 -9.159 -1.990 1.00 0.00 C ATOM 639 C GLY A 47 1.180 -8.023 -0.978 1.00 0.00 C ATOM 640 O GLY A 47 0.460 -8.161 0.009 1.00 0.00 O ATOM 0 H GLY A 47 -0.198 -10.375 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.392 -9.290 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.827 -8.899 -2.917 1.00 0.00 H new ATOM 644 N ILE A 48 1.865 -6.924 -1.259 1.00 0.00 N ATOM 645 CA ILE A 48 1.810 -5.764 -0.386 1.00 0.00 C ATOM 646 C ILE A 48 0.769 -4.778 -0.919 1.00 0.00 C ATOM 647 O ILE A 48 0.992 -4.125 -1.937 1.00 0.00 O ATOM 648 CB ILE A 48 3.203 -5.154 -0.216 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.123 -6.097 0.563 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.121 -3.770 0.429 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.721 -6.159 2.039 1.00 0.00 C ATOM 0 H ILE A 48 2.461 -6.813 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 48 1.491 -6.056 0.614 1.00 0.00 H new ATOM 0 HB ILE A 48 3.641 -5.022 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.079 -7.095 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.155 -5.757 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.125 -3.359 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.525 -3.110 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.654 -3.853 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.390 -6.836 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.789 -5.163 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.697 -6.522 2.122 1.00 0.00 H new ATOM 663 N PHE A 49 -0.346 -4.702 -0.208 1.00 0.00 N ATOM 664 CA PHE A 49 -1.423 -3.807 -0.597 1.00 0.00 C ATOM 665 C PHE A 49 -1.602 -2.686 0.429 1.00 0.00 C ATOM 666 O PHE A 49 -1.246 -2.845 1.595 1.00 0.00 O ATOM 667 CB PHE A 49 -2.703 -4.644 -0.650 1.00 0.00 C ATOM 668 CG PHE A 49 -2.794 -5.566 -1.867 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.818 -6.484 -2.099 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.852 -5.469 -2.717 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.902 -7.340 -3.229 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.936 -6.325 -3.846 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.960 -7.242 -4.079 1.00 0.00 C ATOM 0 H PHE A 49 -0.527 -5.246 0.636 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.197 -3.349 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.768 -5.247 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.563 -3.974 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.979 -6.562 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.628 -4.741 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.126 -8.069 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.776 -6.248 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.024 -7.893 -4.939 1.00 0.00 H new ATOM 683 N ILE A 50 -2.153 -1.578 -0.044 1.00 0.00 N ATOM 684 CA ILE A 50 -2.384 -0.431 0.818 1.00 0.00 C ATOM 685 C ILE A 50 -3.479 -0.772 1.831 1.00 0.00 C ATOM 686 O ILE A 50 -4.553 -1.239 1.456 1.00 0.00 O ATOM 687 CB ILE A 50 -2.685 0.815 -0.018 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.509 1.158 -0.934 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.078 1.993 0.876 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.210 1.282 -0.135 1.00 0.00 C ATOM 0 H ILE A 50 -2.446 -1.450 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.485 -0.195 1.388 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.539 0.598 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.399 0.386 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.710 2.094 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.287 2.866 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.968 1.734 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.260 2.220 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.610 1.526 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.315 2.071 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.001 0.337 0.365 1.00 0.00 H new ATOM 702 N SER A 51 -3.169 -0.524 3.095 1.00 0.00 N ATOM 703 CA SER A 51 -4.113 -0.799 4.165 1.00 0.00 C ATOM 704 C SER A 51 -4.840 0.487 4.564 1.00 0.00 C ATOM 705 O SER A 51 -5.955 0.439 5.081 1.00 0.00 O ATOM 706 CB SER A 51 -3.408 -1.408 5.378 1.00 0.00 C ATOM 707 OG SER A 51 -4.317 -1.683 6.441 1.00 0.00 O ATOM 0 H SER A 51 -2.277 -0.136 3.402 1.00 0.00 H new ATOM 0 HA SER A 51 -4.842 -1.523 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.907 -2.330 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.635 -0.724 5.729 1.00 0.00 H new ATOM 0 HG SER A 51 -3.829 -2.072 7.196 1.00 0.00 H new ATOM 713 N ARG A 52 -4.179 1.606 4.308 1.00 0.00 N ATOM 714 CA ARG A 52 -4.749 2.903 4.634 1.00 0.00 C ATOM 715 C ARG A 52 -4.038 4.007 3.849 1.00 0.00 C ATOM 716 O ARG A 52 -2.887 3.846 3.447 1.00 0.00 O ATOM 717 CB ARG A 52 -4.632 3.195 6.132 1.00 0.00 C ATOM 718 CG ARG A 52 -5.878 3.918 6.648 1.00 0.00 C ATOM 719 CD ARG A 52 -5.610 4.572 8.005 1.00 0.00 C ATOM 720 NE ARG A 52 -6.878 4.729 8.751 1.00 0.00 N ATOM 721 CZ ARG A 52 -7.835 5.610 8.429 1.00 0.00 C ATOM 722 NH1 ARG A 52 -7.673 6.420 7.374 1.00 0.00 N ATOM 723 NH2 ARG A 52 -8.953 5.683 9.164 1.00 0.00 N ATOM 0 H ARG A 52 -3.254 1.642 3.879 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.804 2.880 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.496 2.262 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.749 3.806 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.186 4.677 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.702 3.211 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.913 3.962 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.140 5.545 7.862 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.033 4.129 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.821 6.366 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.402 7.090 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.076 5.068 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.682 6.354 8.919 1.00 0.00 H new ATOM 737 N VAL A 53 -4.754 5.105 3.655 1.00 0.00 N ATOM 738 CA VAL A 53 -4.206 6.236 2.926 1.00 0.00 C ATOM 739 C VAL A 53 -4.531 7.528 3.678 1.00 0.00 C ATOM 740 O VAL A 53 -5.645 8.042 3.585 1.00 0.00 O ATOM 741 CB VAL A 53 -4.729 6.234 1.488 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.660 7.636 0.878 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.966 5.224 0.629 1.00 0.00 C ATOM 0 H VAL A 53 -5.709 5.235 3.990 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.120 6.160 2.864 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.776 5.930 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.037 7.607 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.268 8.321 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.626 7.980 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.357 5.242 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.908 5.484 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.089 4.225 1.047 1.00 0.00 H new ATOM 753 N SER A 54 -3.538 8.017 4.407 1.00 0.00 N ATOM 754 CA SER A 54 -3.704 9.239 5.175 1.00 0.00 C ATOM 755 C SER A 54 -4.385 10.308 4.317 1.00 0.00 C ATOM 756 O SER A 54 -3.832 10.744 3.309 1.00 0.00 O ATOM 757 CB SER A 54 -2.358 9.752 5.692 1.00 0.00 C ATOM 758 OG SER A 54 -1.759 8.844 6.612 1.00 0.00 O ATOM 0 H SER A 54 -2.615 7.589 4.482 1.00 0.00 H new ATOM 0 HA SER A 54 -4.334 9.018 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.684 9.913 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.500 10.718 6.176 1.00 0.00 H new ATOM 0 HG SER A 54 -0.901 9.206 6.918 1.00 0.00 H new ATOM 764 N GLU A 55 -5.575 10.698 4.749 1.00 0.00 N ATOM 765 CA GLU A 55 -6.337 11.707 4.033 1.00 0.00 C ATOM 766 C GLU A 55 -5.484 12.957 3.809 1.00 0.00 C ATOM 767 O GLU A 55 -5.365 13.439 2.684 1.00 0.00 O ATOM 768 CB GLU A 55 -7.628 12.050 4.778 1.00 0.00 C ATOM 769 CG GLU A 55 -8.856 11.717 3.929 1.00 0.00 C ATOM 770 CD GLU A 55 -9.913 12.818 4.038 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.348 13.077 5.181 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.262 13.376 2.975 1.00 0.00 O ATOM 0 H GLU A 55 -6.030 10.334 5.586 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.615 11.302 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.669 11.496 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.634 13.110 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.560 11.594 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.280 10.767 4.254 1.00 0.00 H new ATOM 779 N GLU A 56 -4.911 13.446 4.899 1.00 0.00 N ATOM 780 CA GLU A 56 -4.072 14.631 4.837 1.00 0.00 C ATOM 781 C GLU A 56 -2.597 14.244 4.957 1.00 0.00 C ATOM 782 O GLU A 56 -1.971 14.484 5.988 1.00 0.00 O ATOM 783 CB GLU A 56 -4.465 15.639 5.919 1.00 0.00 C ATOM 784 CG GLU A 56 -5.087 16.893 5.301 1.00 0.00 C ATOM 785 CD GLU A 56 -6.179 17.466 6.205 1.00 0.00 C ATOM 786 OE1 GLU A 56 -7.019 16.660 6.662 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.150 18.697 6.420 1.00 0.00 O ATOM 0 H GLU A 56 -5.011 13.043 5.831 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.224 15.109 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.173 15.180 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.586 15.914 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.314 17.644 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.508 16.651 4.325 1.00 0.00 H new ATOM 794 N GLY A 57 -2.085 13.652 3.889 1.00 0.00 N ATOM 795 CA GLY A 57 -0.695 13.229 3.862 1.00 0.00 C ATOM 796 C GLY A 57 -0.071 13.483 2.488 1.00 0.00 C ATOM 797 O GLY A 57 -0.712 14.052 1.606 1.00 0.00 O ATOM 0 H GLY A 57 -2.607 13.455 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.133 13.766 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.629 12.168 4.105 1.00 0.00 H new ATOM 801 N PRO A 58 1.206 13.036 2.345 1.00 0.00 N ATOM 802 CA PRO A 58 1.923 13.208 1.093 1.00 0.00 C ATOM 803 C PRO A 58 1.423 12.223 0.034 1.00 0.00 C ATOM 804 O PRO A 58 1.384 12.548 -1.152 1.00 0.00 O ATOM 805 CB PRO A 58 3.387 13.006 1.448 1.00 0.00 C ATOM 806 CG PRO A 58 3.396 12.273 2.780 1.00 0.00 C ATOM 807 CD PRO A 58 1.997 12.357 3.367 1.00 0.00 C ATOM 0 HA PRO A 58 1.766 14.191 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.899 12.426 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.906 13.962 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.690 11.233 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.122 12.722 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.598 11.366 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.994 12.913 4.305 1.00 0.00 H new ATOM 815 N ALA A 59 1.053 11.040 0.501 1.00 0.00 N ATOM 816 CA ALA A 59 0.557 10.006 -0.391 1.00 0.00 C ATOM 817 C ALA A 59 -0.748 10.477 -1.036 1.00 0.00 C ATOM 818 O ALA A 59 -0.851 10.544 -2.260 1.00 0.00 O ATOM 819 CB ALA A 59 0.384 8.700 0.387 1.00 0.00 C ATOM 0 H ALA A 59 1.087 10.774 1.485 1.00 0.00 H new ATOM 0 HA ALA A 59 1.271 9.816 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.012 7.924 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.345 8.393 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.328 8.851 1.198 1.00 0.00 H new ATOM 825 N ALA A 60 -1.712 10.791 -0.183 1.00 0.00 N ATOM 826 CA ALA A 60 -3.006 11.254 -0.654 1.00 0.00 C ATOM 827 C ALA A 60 -2.804 12.210 -1.832 1.00 0.00 C ATOM 828 O ALA A 60 -3.553 12.167 -2.807 1.00 0.00 O ATOM 829 CB ALA A 60 -3.767 11.907 0.501 1.00 0.00 C ATOM 0 H ALA A 60 -1.623 10.734 0.831 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.606 10.416 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.738 12.254 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.911 11.179 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.195 12.754 0.881 1.00 0.00 H new ATOM 835 N ARG A 61 -1.787 13.049 -1.704 1.00 0.00 N ATOM 836 CA ARG A 61 -1.476 14.013 -2.745 1.00 0.00 C ATOM 837 C ARG A 61 -1.055 13.292 -4.027 1.00 0.00 C ATOM 838 O ARG A 61 -1.580 13.575 -5.103 1.00 0.00 O ATOM 839 CB ARG A 61 -0.353 14.955 -2.306 1.00 0.00 C ATOM 840 CG ARG A 61 -0.787 15.806 -1.111 1.00 0.00 C ATOM 841 CD ARG A 61 -0.154 17.198 -1.170 1.00 0.00 C ATOM 842 NE ARG A 61 -1.210 18.231 -1.259 1.00 0.00 N ATOM 843 CZ ARG A 61 -0.985 19.508 -1.596 1.00 0.00 C ATOM 844 NH1 ARG A 61 0.259 19.918 -1.878 1.00 0.00 N ATOM 845 NH2 ARG A 61 -2.005 20.376 -1.651 1.00 0.00 N ATOM 0 H ARG A 61 -1.167 13.081 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.375 14.600 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.531 14.375 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.072 15.603 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.873 15.897 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.499 15.311 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.457 17.366 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.509 17.269 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.169 17.953 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.035 19.258 -1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.430 20.890 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.952 20.064 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.834 21.348 -1.908 1.00 0.00 H new ATOM 859 N ALA A 62 -0.112 12.375 -3.871 1.00 0.00 N ATOM 860 CA ALA A 62 0.385 11.612 -5.003 1.00 0.00 C ATOM 861 C ALA A 62 -0.798 11.028 -5.778 1.00 0.00 C ATOM 862 O ALA A 62 -0.790 11.008 -7.008 1.00 0.00 O ATOM 863 CB ALA A 62 1.347 10.530 -4.507 1.00 0.00 C ATOM 0 H ALA A 62 0.321 12.143 -2.977 1.00 0.00 H new ATOM 0 HA ALA A 62 0.941 12.256 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.720 9.958 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.184 10.997 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.823 9.863 -3.822 1.00 0.00 H new ATOM 869 N GLY A 63 -1.788 10.569 -5.026 1.00 0.00 N ATOM 870 CA GLY A 63 -2.976 9.987 -5.627 1.00 0.00 C ATOM 871 C GLY A 63 -3.083 8.496 -5.298 1.00 0.00 C ATOM 872 O GLY A 63 -3.688 7.733 -6.049 1.00 0.00 O ATOM 0 H GLY A 63 -1.792 10.588 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.863 10.507 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.945 10.123 -6.708 1.00 0.00 H new ATOM 876 N VAL A 64 -2.485 8.126 -4.175 1.00 0.00 N ATOM 877 CA VAL A 64 -2.505 6.741 -3.738 1.00 0.00 C ATOM 878 C VAL A 64 -3.932 6.355 -3.345 1.00 0.00 C ATOM 879 O VAL A 64 -4.689 7.188 -2.847 1.00 0.00 O ATOM 880 CB VAL A 64 -1.496 6.535 -2.606 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.963 7.226 -1.323 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.240 5.046 -2.365 1.00 0.00 C ATOM 0 H VAL A 64 -1.984 8.762 -3.555 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.202 6.080 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.554 6.992 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.228 7.064 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.071 8.295 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.923 6.811 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.519 4.927 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.175 4.555 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.843 4.593 -3.274 1.00 0.00 H new ATOM 892 N ARG A 65 -4.257 5.093 -3.583 1.00 0.00 N ATOM 893 CA ARG A 65 -5.580 4.587 -3.260 1.00 0.00 C ATOM 894 C ARG A 65 -5.472 3.263 -2.501 1.00 0.00 C ATOM 895 O ARG A 65 -4.699 2.386 -2.884 1.00 0.00 O ATOM 896 CB ARG A 65 -6.413 4.376 -4.525 1.00 0.00 C ATOM 897 CG ARG A 65 -6.738 5.711 -5.198 1.00 0.00 C ATOM 898 CD ARG A 65 -7.730 5.519 -6.347 1.00 0.00 C ATOM 899 NE ARG A 65 -7.806 6.753 -7.161 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.467 7.858 -6.790 1.00 0.00 C ATOM 901 NH1 ARG A 65 -9.114 7.890 -5.617 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.482 8.931 -7.593 1.00 0.00 N ATOM 0 H ARG A 65 -3.627 4.406 -3.996 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.074 5.329 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.869 3.737 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.338 3.857 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.155 6.400 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.822 6.164 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.419 4.681 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.715 5.274 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.325 6.763 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.103 7.073 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.617 8.731 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.990 8.906 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.985 9.772 -7.311 1.00 0.00 H new ATOM 916 N VAL A 66 -6.257 3.159 -1.439 1.00 0.00 N ATOM 917 CA VAL A 66 -6.259 1.957 -0.624 1.00 0.00 C ATOM 918 C VAL A 66 -6.617 0.754 -1.498 1.00 0.00 C ATOM 919 O VAL A 66 -7.497 0.843 -2.353 1.00 0.00 O ATOM 920 CB VAL A 66 -7.204 2.133 0.567 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.361 0.822 1.340 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.724 3.258 1.485 1.00 0.00 C ATOM 0 H VAL A 66 -6.897 3.888 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.267 1.775 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.184 2.412 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.037 0.974 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.770 0.057 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.388 0.499 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.413 3.362 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.729 3.021 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.688 4.193 0.926 1.00 0.00 H new ATOM 932 N GLY A 67 -5.916 -0.344 -1.255 1.00 0.00 N ATOM 933 CA GLY A 67 -6.148 -1.564 -2.010 1.00 0.00 C ATOM 934 C GLY A 67 -5.121 -1.718 -3.133 1.00 0.00 C ATOM 935 O GLY A 67 -4.994 -2.792 -3.719 1.00 0.00 O ATOM 0 H GLY A 67 -5.187 -0.414 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.094 -2.424 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.153 -1.550 -2.431 1.00 0.00 H new ATOM 939 N ASP A 68 -4.414 -0.629 -3.398 1.00 0.00 N ATOM 940 CA ASP A 68 -3.402 -0.630 -4.441 1.00 0.00 C ATOM 941 C ASP A 68 -2.328 -1.667 -4.102 1.00 0.00 C ATOM 942 O ASP A 68 -1.790 -1.670 -2.996 1.00 0.00 O ATOM 943 CB ASP A 68 -2.722 0.736 -4.550 1.00 0.00 C ATOM 944 CG ASP A 68 -3.198 1.604 -5.715 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.182 1.086 -6.853 1.00 0.00 O ATOM 946 OD2 ASP A 68 -3.569 2.767 -5.443 1.00 0.00 O ATOM 0 H ASP A 68 -4.522 0.260 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.892 -0.865 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.885 1.281 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.647 0.583 -4.646 1.00 0.00 H new ATOM 951 N LYS A 69 -2.049 -2.522 -5.075 1.00 0.00 N ATOM 952 CA LYS A 69 -1.050 -3.561 -4.895 1.00 0.00 C ATOM 953 C LYS A 69 0.325 -3.014 -5.283 1.00 0.00 C ATOM 954 O LYS A 69 0.657 -2.942 -6.465 1.00 0.00 O ATOM 955 CB LYS A 69 -1.447 -4.825 -5.659 1.00 0.00 C ATOM 956 CG LYS A 69 -0.300 -5.837 -5.680 1.00 0.00 C ATOM 957 CD LYS A 69 -0.541 -6.919 -6.735 1.00 0.00 C ATOM 958 CE LYS A 69 0.332 -8.147 -6.471 1.00 0.00 C ATOM 959 NZ LYS A 69 1.763 -7.815 -6.660 1.00 0.00 N ATOM 0 H LYS A 69 -2.498 -2.516 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.992 -3.855 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.325 -5.274 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.725 -4.564 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.639 -5.324 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.199 -6.298 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.592 -7.208 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.324 -6.520 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.167 -8.507 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.048 -8.955 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.337 -8.674 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.907 -7.429 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.051 -7.108 -5.954 1.00 0.00 H new ATOM 973 N LEU A 70 1.088 -2.642 -4.266 1.00 0.00 N ATOM 974 CA LEU A 70 2.419 -2.103 -4.486 1.00 0.00 C ATOM 975 C LEU A 70 3.254 -3.122 -5.265 1.00 0.00 C ATOM 976 O LEU A 70 3.246 -4.310 -4.947 1.00 0.00 O ATOM 977 CB LEU A 70 3.050 -1.677 -3.159 1.00 0.00 C ATOM 978 CG LEU A 70 3.688 -0.286 -3.137 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.651 -0.105 -4.312 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.618 0.807 -3.099 1.00 0.00 C ATOM 0 H LEU A 70 0.810 -2.703 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 70 2.369 -1.199 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.283 -1.716 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.812 -2.409 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 70 4.275 -0.194 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.090 0.892 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.442 -0.853 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.108 -0.225 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.098 1.786 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.985 0.727 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.008 0.688 -2.203 1.00 0.00 H new ATOM 992 N LEU A 71 3.955 -2.619 -6.271 1.00 0.00 N ATOM 993 CA LEU A 71 4.793 -3.470 -7.098 1.00 0.00 C ATOM 994 C LEU A 71 6.254 -3.042 -6.945 1.00 0.00 C ATOM 995 O LEU A 71 7.144 -3.884 -6.845 1.00 0.00 O ATOM 996 CB LEU A 71 4.299 -3.465 -8.545 1.00 0.00 C ATOM 997 CG LEU A 71 2.781 -3.429 -8.736 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.416 -2.965 -10.147 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.154 -4.784 -8.398 1.00 0.00 C ATOM 0 H LEU A 71 3.960 -1.633 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 71 4.727 -4.507 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.730 -2.601 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.687 -4.353 -9.043 1.00 0.00 H new ATOM 0 HG LEU A 71 2.367 -2.699 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.332 -2.949 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.813 -1.964 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.843 -3.652 -10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.075 -4.732 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.570 -5.551 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.370 -5.036 -7.360 1.00 0.00 H new ATOM 1011 N GLU A 72 6.455 -1.732 -6.932 1.00 0.00 N ATOM 1012 CA GLU A 72 7.793 -1.182 -6.794 1.00 0.00 C ATOM 1013 C GLU A 72 7.767 0.057 -5.896 1.00 0.00 C ATOM 1014 O GLU A 72 6.720 0.677 -5.719 1.00 0.00 O ATOM 1015 CB GLU A 72 8.396 -0.855 -8.162 1.00 0.00 C ATOM 1016 CG GLU A 72 9.608 -1.742 -8.453 1.00 0.00 C ATOM 1017 CD GLU A 72 9.845 -1.871 -9.959 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.833 -1.898 -10.692 1.00 0.00 O ATOM 1019 OE2 GLU A 72 11.032 -1.940 -10.343 1.00 0.00 O ATOM 0 H GLU A 72 5.714 -1.036 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 72 8.427 -1.934 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.644 -0.995 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.693 0.193 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.494 -1.321 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.452 -2.730 -8.020 1.00 0.00 H new ATOM 1026 N VAL A 73 8.932 0.379 -5.354 1.00 0.00 N ATOM 1027 CA VAL A 73 9.056 1.533 -4.479 1.00 0.00 C ATOM 1028 C VAL A 73 10.463 2.120 -4.612 1.00 0.00 C ATOM 1029 O VAL A 73 11.427 1.552 -4.102 1.00 0.00 O ATOM 1030 CB VAL A 73 8.706 1.140 -3.042 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.284 2.144 -2.043 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.193 0.999 -2.865 1.00 0.00 C ATOM 0 H VAL A 73 9.798 -0.138 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 73 8.350 2.311 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 73 9.158 0.169 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.021 1.841 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.369 2.173 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.875 3.134 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.972 0.719 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.710 1.949 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.818 0.229 -3.539 1.00 0.00 H new ATOM 1042 N ASN A 74 10.535 3.249 -5.301 1.00 0.00 N ATOM 1043 CA ASN A 74 11.808 3.920 -5.509 1.00 0.00 C ATOM 1044 C ASN A 74 12.687 3.064 -6.423 1.00 0.00 C ATOM 1045 O ASN A 74 13.878 3.332 -6.572 1.00 0.00 O ATOM 1046 CB ASN A 74 12.550 4.113 -4.185 1.00 0.00 C ATOM 1047 CG ASN A 74 12.899 5.586 -3.963 1.00 0.00 C ATOM 1048 OD1 ASN A 74 13.965 6.059 -4.322 1.00 0.00 O ATOM 1049 ND2 ASN A 74 11.945 6.282 -3.351 1.00 0.00 N ATOM 0 H ASN A 74 9.733 3.717 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 74 11.608 4.894 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.932 3.754 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.461 3.515 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.083 7.274 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.076 5.824 -3.077 1.00 0.00 H new ATOM 1056 N GLY A 75 12.065 2.052 -7.010 1.00 0.00 N ATOM 1057 CA GLY A 75 12.777 1.155 -7.906 1.00 0.00 C ATOM 1058 C GLY A 75 12.866 -0.253 -7.314 1.00 0.00 C ATOM 1059 O GLY A 75 13.037 -1.227 -8.045 1.00 0.00 O ATOM 0 H GLY A 75 11.077 1.833 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.268 1.117 -8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.780 1.540 -8.091 1.00 0.00 H new ATOM 1063 N VAL A 76 12.746 -0.315 -5.996 1.00 0.00 N ATOM 1064 CA VAL A 76 12.812 -1.588 -5.299 1.00 0.00 C ATOM 1065 C VAL A 76 11.573 -2.418 -5.643 1.00 0.00 C ATOM 1066 O VAL A 76 10.473 -1.880 -5.757 1.00 0.00 O ATOM 1067 CB VAL A 76 12.974 -1.353 -3.795 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.670 -0.849 -3.175 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.462 -2.621 -3.092 1.00 0.00 C ATOM 0 H VAL A 76 12.604 0.495 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 76 13.684 -2.156 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 76 13.731 -0.581 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.813 -0.690 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.383 0.091 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.884 -1.588 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.569 -2.427 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.739 -3.423 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.426 -2.918 -3.505 1.00 0.00 H new ATOM 1079 N ALA A 77 11.794 -3.715 -5.800 1.00 0.00 N ATOM 1080 CA ALA A 77 10.710 -4.624 -6.129 1.00 0.00 C ATOM 1081 C ALA A 77 10.036 -5.096 -4.839 1.00 0.00 C ATOM 1082 O ALA A 77 10.673 -5.729 -3.998 1.00 0.00 O ATOM 1083 CB ALA A 77 11.253 -5.787 -6.962 1.00 0.00 C ATOM 0 H ALA A 77 12.708 -4.158 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 77 9.954 -4.118 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.439 -6.469 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.694 -5.401 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.013 -6.320 -6.391 1.00 0.00 H new ATOM 1089 N LEU A 78 8.757 -4.771 -4.724 1.00 0.00 N ATOM 1090 CA LEU A 78 7.990 -5.154 -3.551 1.00 0.00 C ATOM 1091 C LEU A 78 7.087 -6.338 -3.901 1.00 0.00 C ATOM 1092 O LEU A 78 6.033 -6.521 -3.293 1.00 0.00 O ATOM 1093 CB LEU A 78 7.233 -3.948 -2.989 1.00 0.00 C ATOM 1094 CG LEU A 78 8.094 -2.842 -2.376 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.229 -1.817 -1.641 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.180 -3.429 -1.472 1.00 0.00 C ATOM 0 H LEU A 78 8.232 -4.247 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 78 8.654 -5.485 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.635 -3.514 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.537 -4.303 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 78 8.599 -2.315 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.866 -1.042 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.527 -1.365 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.677 -2.313 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.777 -2.621 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.715 -3.996 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.822 -4.088 -2.056 1.00 0.00 H new ATOM 1108 N GLN A 79 7.533 -7.112 -4.880 1.00 0.00 N ATOM 1109 CA GLN A 79 6.778 -8.273 -5.319 1.00 0.00 C ATOM 1110 C GLN A 79 6.896 -9.401 -4.292 1.00 0.00 C ATOM 1111 O GLN A 79 7.977 -9.952 -4.090 1.00 0.00 O ATOM 1112 CB GLN A 79 7.242 -8.738 -6.700 1.00 0.00 C ATOM 1113 CG GLN A 79 6.229 -8.349 -7.779 1.00 0.00 C ATOM 1114 CD GLN A 79 6.157 -9.414 -8.875 1.00 0.00 C ATOM 1115 OE1 GLN A 79 7.154 -9.981 -9.291 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.926 -9.652 -9.318 1.00 0.00 N ATOM 0 H GLN A 79 8.408 -6.958 -5.381 1.00 0.00 H new ATOM 0 HA GLN A 79 5.728 -7.991 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.211 -8.296 -6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.378 -9.819 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.245 -8.219 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.509 -7.391 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.135 -9.141 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.773 -10.345 -10.050 1.00 0.00 H new ATOM 1125 N GLY A 80 5.768 -9.712 -3.670 1.00 0.00 N ATOM 1126 CA GLY A 80 5.732 -10.765 -2.669 1.00 0.00 C ATOM 1127 C GLY A 80 6.886 -10.618 -1.676 1.00 0.00 C ATOM 1128 O GLY A 80 7.571 -11.592 -1.365 1.00 0.00 O ATOM 0 H GLY A 80 4.873 -9.254 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.782 -10.732 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.790 -11.738 -3.157 1.00 0.00 H new ATOM 1132 N ALA A 81 7.067 -9.393 -1.205 1.00 0.00 N ATOM 1133 CA ALA A 81 8.127 -9.106 -0.253 1.00 0.00 C ATOM 1134 C ALA A 81 7.551 -9.119 1.164 1.00 0.00 C ATOM 1135 O ALA A 81 6.407 -8.721 1.377 1.00 0.00 O ATOM 1136 CB ALA A 81 8.780 -7.767 -0.605 1.00 0.00 C ATOM 0 H ALA A 81 6.498 -8.588 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 81 8.903 -9.870 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.575 -7.551 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.199 -7.819 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.032 -6.976 -0.565 1.00 0.00 H new ATOM 1142 N GLU A 82 8.370 -9.582 2.097 1.00 0.00 N ATOM 1143 CA GLU A 82 7.957 -9.652 3.488 1.00 0.00 C ATOM 1144 C GLU A 82 7.699 -8.248 4.037 1.00 0.00 C ATOM 1145 O GLU A 82 8.238 -7.268 3.525 1.00 0.00 O ATOM 1146 CB GLU A 82 8.998 -10.389 4.333 1.00 0.00 C ATOM 1147 CG GLU A 82 9.111 -11.855 3.910 1.00 0.00 C ATOM 1148 CD GLU A 82 10.159 -12.589 4.749 1.00 0.00 C ATOM 1149 OE1 GLU A 82 9.866 -12.827 5.941 1.00 0.00 O ATOM 1150 OE2 GLU A 82 11.229 -12.894 4.180 1.00 0.00 O ATOM 0 H GLU A 82 9.318 -9.912 1.917 1.00 0.00 H new ATOM 0 HA GLU A 82 7.027 -10.218 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.967 -9.901 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.723 -10.331 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.143 -12.345 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.379 -11.913 2.855 1.00 0.00 H new ATOM 1157 N HIS A 83 6.873 -8.194 5.072 1.00 0.00 N ATOM 1158 CA HIS A 83 6.537 -6.926 5.696 1.00 0.00 C ATOM 1159 C HIS A 83 7.802 -6.079 5.852 1.00 0.00 C ATOM 1160 O HIS A 83 7.874 -4.964 5.339 1.00 0.00 O ATOM 1161 CB HIS A 83 5.806 -7.149 7.022 1.00 0.00 C ATOM 1162 CG HIS A 83 4.801 -6.074 7.358 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.599 -5.935 6.685 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.830 -5.090 8.301 1.00 0.00 C ATOM 1165 CE1 HIS A 83 2.943 -4.909 7.208 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.708 -4.386 8.209 1.00 0.00 N ATOM 0 H HIS A 83 6.427 -9.008 5.494 1.00 0.00 H new ATOM 0 HA HIS A 83 5.848 -6.374 5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.295 -8.111 6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.541 -7.208 7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.630 -4.913 9.004 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.973 -4.550 6.896 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.459 -3.586 8.791 1.00 0.00 H new ATOM 1174 N HIS A 84 8.768 -6.642 6.564 1.00 0.00 N ATOM 1175 CA HIS A 84 10.027 -5.953 6.794 1.00 0.00 C ATOM 1176 C HIS A 84 10.562 -5.406 5.469 1.00 0.00 C ATOM 1177 O HIS A 84 10.823 -4.210 5.347 1.00 0.00 O ATOM 1178 CB HIS A 84 11.026 -6.869 7.504 1.00 0.00 C ATOM 1179 CG HIS A 84 11.723 -7.845 6.587 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.999 -7.633 6.096 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.309 -9.041 6.078 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.328 -8.660 5.326 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.279 -9.532 5.317 1.00 0.00 N ATOM 0 H HIS A 84 8.704 -7.567 6.989 1.00 0.00 H new ATOM 0 HA HIS A 84 9.865 -5.104 7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.776 -6.255 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.503 -7.426 8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.353 -9.509 6.263 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.262 -8.785 4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.246 -10.416 4.809 1.00 0.00 H new ATOM 1191 N GLU A 85 10.709 -6.307 4.509 1.00 0.00 N ATOM 1192 CA GLU A 85 11.208 -5.930 3.198 1.00 0.00 C ATOM 1193 C GLU A 85 10.494 -4.672 2.700 1.00 0.00 C ATOM 1194 O GLU A 85 11.139 -3.717 2.270 1.00 0.00 O ATOM 1195 CB GLU A 85 11.052 -7.080 2.200 1.00 0.00 C ATOM 1196 CG GLU A 85 12.039 -8.208 2.506 1.00 0.00 C ATOM 1197 CD GLU A 85 12.690 -8.730 1.222 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.371 -7.917 0.561 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.490 -9.929 0.932 1.00 0.00 O ATOM 0 H GLU A 85 10.491 -7.298 4.613 1.00 0.00 H new ATOM 0 HA GLU A 85 12.272 -5.710 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.032 -7.464 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.217 -6.712 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.809 -7.847 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.521 -9.022 3.012 1.00 0.00 H new ATOM 1206 N ALA A 86 9.172 -4.711 2.774 1.00 0.00 N ATOM 1207 CA ALA A 86 8.363 -3.586 2.337 1.00 0.00 C ATOM 1208 C ALA A 86 8.671 -2.371 3.214 1.00 0.00 C ATOM 1209 O ALA A 86 9.097 -1.331 2.713 1.00 0.00 O ATOM 1210 CB ALA A 86 6.884 -3.974 2.376 1.00 0.00 C ATOM 0 H ALA A 86 8.640 -5.505 3.131 1.00 0.00 H new ATOM 0 HA ALA A 86 8.602 -3.319 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.278 -3.130 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.713 -4.823 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.606 -4.247 3.394 1.00 0.00 H new ATOM 1216 N VAL A 87 8.443 -2.543 4.508 1.00 0.00 N ATOM 1217 CA VAL A 87 8.690 -1.473 5.460 1.00 0.00 C ATOM 1218 C VAL A 87 10.047 -0.833 5.160 1.00 0.00 C ATOM 1219 O VAL A 87 10.131 0.371 4.924 1.00 0.00 O ATOM 1220 CB VAL A 87 8.584 -2.009 6.889 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.070 -0.970 7.901 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.154 -2.454 7.203 1.00 0.00 C ATOM 0 H VAL A 87 8.090 -3.407 4.919 1.00 0.00 H new ATOM 0 HA VAL A 87 7.934 -0.693 5.363 1.00 0.00 H new ATOM 0 HB VAL A 87 9.231 -2.882 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.984 -1.376 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.112 -0.723 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.461 -0.070 7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.106 -2.831 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.477 -1.606 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.858 -3.243 6.511 1.00 0.00 H new ATOM 1232 N GLU A 88 11.076 -1.668 5.180 1.00 0.00 N ATOM 1233 CA GLU A 88 12.425 -1.199 4.914 1.00 0.00 C ATOM 1234 C GLU A 88 12.450 -0.346 3.644 1.00 0.00 C ATOM 1235 O GLU A 88 12.928 0.787 3.662 1.00 0.00 O ATOM 1236 CB GLU A 88 13.402 -2.372 4.806 1.00 0.00 C ATOM 1237 CG GLU A 88 14.589 -2.186 5.753 1.00 0.00 C ATOM 1238 CD GLU A 88 15.665 -1.304 5.117 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.434 -0.076 5.065 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.694 -1.877 4.698 1.00 0.00 O ATOM 0 H GLU A 88 11.002 -2.666 5.376 1.00 0.00 H new ATOM 0 HA GLU A 88 12.745 -0.578 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.886 -3.303 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.761 -2.458 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.248 -1.735 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.013 -3.158 6.006 1.00 0.00 H new ATOM 1247 N ALA A 89 11.928 -0.923 2.571 1.00 0.00 N ATOM 1248 CA ALA A 89 11.884 -0.230 1.295 1.00 0.00 C ATOM 1249 C ALA A 89 11.374 1.196 1.512 1.00 0.00 C ATOM 1250 O ALA A 89 12.034 2.160 1.128 1.00 0.00 O ATOM 1251 CB ALA A 89 11.012 -1.019 0.316 1.00 0.00 C ATOM 0 H ALA A 89 11.532 -1.863 2.560 1.00 0.00 H new ATOM 0 HA ALA A 89 12.881 -0.161 0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.979 -0.499 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.433 -2.014 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.002 -1.106 0.717 1.00 0.00 H new ATOM 1257 N LEU A 90 10.203 1.285 2.126 1.00 0.00 N ATOM 1258 CA LEU A 90 9.597 2.577 2.398 1.00 0.00 C ATOM 1259 C LEU A 90 10.627 3.487 3.072 1.00 0.00 C ATOM 1260 O LEU A 90 10.865 4.604 2.616 1.00 0.00 O ATOM 1261 CB LEU A 90 8.308 2.405 3.204 1.00 0.00 C ATOM 1262 CG LEU A 90 7.070 1.989 2.407 1.00 0.00 C ATOM 1263 CD1 LEU A 90 5.967 1.477 3.336 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.582 3.133 1.516 1.00 0.00 C ATOM 0 H LEU A 90 9.658 0.483 2.443 1.00 0.00 H new ATOM 0 HA LEU A 90 9.302 3.063 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.484 1.659 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.091 3.346 3.710 1.00 0.00 H new ATOM 0 HG LEU A 90 7.348 1.164 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.098 1.188 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.331 0.613 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.685 2.265 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.701 2.811 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.326 3.993 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.370 3.411 0.817 1.00 0.00 H new ATOM 1276 N ARG A 91 11.209 2.974 4.146 1.00 0.00 N ATOM 1277 CA ARG A 91 12.208 3.726 4.887 1.00 0.00 C ATOM 1278 C ARG A 91 13.291 4.246 3.940 1.00 0.00 C ATOM 1279 O ARG A 91 13.767 5.370 4.093 1.00 0.00 O ATOM 1280 CB ARG A 91 12.858 2.862 5.969 1.00 0.00 C ATOM 1281 CG ARG A 91 11.946 2.735 7.191 1.00 0.00 C ATOM 1282 CD ARG A 91 11.719 1.267 7.556 1.00 0.00 C ATOM 1283 NE ARG A 91 12.950 0.697 8.149 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.443 1.052 9.343 1.00 0.00 C ATOM 1285 NH1 ARG A 91 12.813 1.977 10.080 1.00 0.00 N ATOM 1286 NH2 ARG A 91 14.566 0.482 9.801 1.00 0.00 N ATOM 0 H ARG A 91 11.008 2.047 4.521 1.00 0.00 H new ATOM 0 HA ARG A 91 11.704 4.566 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.074 1.872 5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.811 3.300 6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.391 3.259 8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.989 3.215 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.893 1.183 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.438 0.702 6.667 1.00 0.00 H new ATOM 0 HE ARG A 91 13.454 -0.011 7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.958 2.411 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.188 2.247 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.046 -0.222 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.941 0.753 10.710 1.00 0.00 H new ATOM 1300 N GLY A 92 13.649 3.404 2.982 1.00 0.00 N ATOM 1301 CA GLY A 92 14.667 3.765 2.010 1.00 0.00 C ATOM 1302 C GLY A 92 14.067 4.582 0.864 1.00 0.00 C ATOM 1303 O GLY A 92 13.652 4.025 -0.150 1.00 0.00 O ATOM 0 H GLY A 92 13.252 2.473 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.453 4.340 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.132 2.863 1.613 1.00 0.00 H new ATOM 1307 N ALA A 93 14.040 5.892 1.065 1.00 0.00 N ATOM 1308 CA ALA A 93 13.498 6.792 0.062 1.00 0.00 C ATOM 1309 C ALA A 93 13.721 8.239 0.507 1.00 0.00 C ATOM 1310 O ALA A 93 13.500 8.576 1.669 1.00 0.00 O ATOM 1311 CB ALA A 93 12.019 6.473 -0.164 1.00 0.00 C ATOM 0 H ALA A 93 14.385 6.351 1.908 1.00 0.00 H new ATOM 0 HA ALA A 93 14.010 6.658 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.612 7.148 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.917 5.443 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.473 6.600 0.771 1.00 0.00 H new ATOM 1317 N GLY A 94 14.158 9.055 -0.441 1.00 0.00 N ATOM 1318 CA GLY A 94 14.414 10.458 -0.162 1.00 0.00 C ATOM 1319 C GLY A 94 13.157 11.300 -0.388 1.00 0.00 C ATOM 1320 O GLY A 94 12.046 10.772 -0.405 1.00 0.00 O ATOM 0 H GLY A 94 14.341 8.771 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.752 10.572 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.218 10.819 -0.803 1.00 0.00 H new ATOM 1324 N THR A 95 13.374 12.596 -0.556 1.00 0.00 N ATOM 1325 CA THR A 95 12.273 13.517 -0.781 1.00 0.00 C ATOM 1326 C THR A 95 11.213 12.872 -1.677 1.00 0.00 C ATOM 1327 O THR A 95 10.178 12.419 -1.192 1.00 0.00 O ATOM 1328 CB THR A 95 12.849 14.812 -1.357 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.589 14.386 -2.498 1.00 0.00 O ATOM 1330 CG2 THR A 95 13.903 15.441 -0.443 1.00 0.00 C ATOM 0 H THR A 95 14.297 13.030 -0.541 1.00 0.00 H new ATOM 0 HA THR A 95 11.763 13.758 0.151 1.00 0.00 H new ATOM 0 HB THR A 95 12.042 15.525 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.995 15.164 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.279 16.357 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.455 15.674 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.727 14.741 -0.302 1.00 0.00 H new ATOM 1338 N ALA A 96 11.509 12.852 -2.968 1.00 0.00 N ATOM 1339 CA ALA A 96 10.595 12.270 -3.936 1.00 0.00 C ATOM 1340 C ALA A 96 10.652 10.745 -3.833 1.00 0.00 C ATOM 1341 O ALA A 96 11.718 10.149 -3.983 1.00 0.00 O ATOM 1342 CB ALA A 96 10.947 12.774 -5.338 1.00 0.00 C ATOM 0 H ALA A 96 12.369 13.229 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 96 9.570 12.576 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.261 12.337 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.862 13.860 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.969 12.484 -5.583 1.00 0.00 H new ATOM 1348 N VAL A 97 9.493 10.156 -3.579 1.00 0.00 N ATOM 1349 CA VAL A 97 9.398 8.712 -3.454 1.00 0.00 C ATOM 1350 C VAL A 97 8.425 8.176 -4.506 1.00 0.00 C ATOM 1351 O VAL A 97 7.247 8.532 -4.506 1.00 0.00 O ATOM 1352 CB VAL A 97 9.001 8.335 -2.025 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.753 6.830 -1.904 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.058 8.800 -1.021 1.00 0.00 C ATOM 0 H VAL A 97 8.611 10.653 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 97 10.367 8.248 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 97 8.068 8.848 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.472 6.589 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.948 6.538 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.662 6.289 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.751 8.519 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.013 8.329 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.164 9.883 -1.080 1.00 0.00 H new ATOM 1364 N GLN A 98 8.953 7.329 -5.377 1.00 0.00 N ATOM 1365 CA GLN A 98 8.145 6.741 -6.432 1.00 0.00 C ATOM 1366 C GLN A 98 7.635 5.364 -6.005 1.00 0.00 C ATOM 1367 O GLN A 98 8.406 4.532 -5.529 1.00 0.00 O ATOM 1368 CB GLN A 98 8.934 6.652 -7.741 1.00 0.00 C ATOM 1369 CG GLN A 98 8.062 7.049 -8.934 1.00 0.00 C ATOM 1370 CD GLN A 98 8.817 6.859 -10.251 1.00 0.00 C ATOM 1371 OE1 GLN A 98 8.971 5.759 -10.756 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.278 7.990 -10.778 1.00 0.00 N ATOM 0 H GLN A 98 9.930 7.036 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 98 7.285 7.387 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.806 7.305 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.304 5.636 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.153 6.447 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.754 8.090 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.114 8.878 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.795 7.969 -11.657 1.00 0.00 H new ATOM 1381 N MET A 99 6.338 5.165 -6.191 1.00 0.00 N ATOM 1382 CA MET A 99 5.716 3.902 -5.830 1.00 0.00 C ATOM 1383 C MET A 99 4.863 3.363 -6.981 1.00 0.00 C ATOM 1384 O MET A 99 3.916 4.016 -7.415 1.00 0.00 O ATOM 1385 CB MET A 99 4.838 4.101 -4.593 1.00 0.00 C ATOM 1386 CG MET A 99 5.689 4.196 -3.326 1.00 0.00 C ATOM 1387 SD MET A 99 4.911 3.291 -1.998 1.00 0.00 S ATOM 1388 CE MET A 99 4.805 4.579 -0.767 1.00 0.00 C ATOM 0 H MET A 99 5.701 5.857 -6.587 1.00 0.00 H new ATOM 0 HA MET A 99 6.502 3.178 -5.615 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.245 5.009 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.137 3.271 -4.503 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.685 3.795 -3.516 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.815 5.240 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.718 4.130 0.223 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.702 5.196 -0.808 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.929 5.198 -0.963 1.00 0.00 H new ATOM 1398 N ARG A 100 5.230 2.176 -7.441 1.00 0.00 N ATOM 1399 CA ARG A 100 4.511 1.542 -8.533 1.00 0.00 C ATOM 1400 C ARG A 100 3.428 0.611 -7.984 1.00 0.00 C ATOM 1401 O ARG A 100 3.729 -0.475 -7.491 1.00 0.00 O ATOM 1402 CB ARG A 100 5.460 0.739 -9.425 1.00 0.00 C ATOM 1403 CG ARG A 100 4.755 0.283 -10.704 1.00 0.00 C ATOM 1404 CD ARG A 100 5.697 -0.540 -11.585 1.00 0.00 C ATOM 1405 NE ARG A 100 5.776 0.058 -12.937 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.435 -0.494 -13.965 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.076 -1.659 -13.802 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.453 0.120 -15.156 1.00 0.00 N ATOM 0 H ARG A 100 6.016 1.637 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 100 4.051 2.330 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.327 1.348 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.830 -0.129 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.878 -0.312 -10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.400 1.152 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.689 -0.576 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.340 -1.568 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 100 5.299 0.946 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.062 -2.126 -12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.578 -2.079 -14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.965 1.007 -15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.955 -0.300 -15.939 1.00 0.00 H new ATOM 1422 N VAL A 101 2.189 1.069 -8.090 1.00 0.00 N ATOM 1423 CA VAL A 101 1.060 0.291 -7.610 1.00 0.00 C ATOM 1424 C VAL A 101 0.368 -0.380 -8.798 1.00 0.00 C ATOM 1425 O VAL A 101 0.591 0.000 -9.947 1.00 0.00 O ATOM 1426 CB VAL A 101 0.119 1.181 -6.795 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.809 1.691 -5.528 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.405 2.343 -7.640 1.00 0.00 C ATOM 0 H VAL A 101 1.943 1.969 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 101 1.398 -0.500 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.736 0.577 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.119 2.321 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.110 0.844 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.690 2.272 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.071 2.960 -7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.433 2.947 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.951 1.951 -8.498 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.459 -1.366 -8.481 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.185 -2.094 -9.508 1.00 0.00 C ATOM 1440 C TRP A 102 -2.680 -1.849 -9.293 1.00 0.00 C ATOM 1441 O TRP A 102 -3.201 -2.083 -8.204 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.814 -3.578 -9.494 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.226 -4.334 -10.759 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -0.913 -4.047 -12.030 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.045 -5.520 -10.824 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.468 -4.959 -12.906 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.178 -5.883 -12.148 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.653 -6.263 -9.796 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -2.914 -6.997 -12.568 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.386 -7.374 -10.232 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.529 -7.752 -11.562 1.00 0.00 C ATOM 0 H TRP A 102 -0.642 -1.678 -7.527 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.913 -1.736 -10.501 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.264 -3.671 -9.362 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.283 -4.051 -8.631 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.303 -3.208 -12.331 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.374 -4.955 -13.922 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.562 -5.998 -8.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.003 -7.260 -13.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.874 -7.979 -9.483 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.112 -8.624 -11.818 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.328 -1.380 -10.350 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.753 -1.101 -10.290 1.00 0.00 C ATOM 1464 C ARG A 103 -5.359 -1.134 -11.695 1.00 0.00 C ATOM 1465 O ARG A 103 -4.655 -0.937 -12.684 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.020 0.267 -9.659 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.484 0.397 -9.233 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.741 1.748 -8.563 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.770 1.586 -7.092 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.817 1.104 -6.409 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.929 0.736 -7.060 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -7.754 0.992 -5.075 1.00 0.00 N ATOM 0 H ARG A 103 -2.893 -1.186 -11.252 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.216 -1.870 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.372 0.405 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.773 1.055 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.131 0.290 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.739 -0.409 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.962 2.457 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.688 2.161 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.940 1.859 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.978 0.823 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.726 0.369 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.909 1.274 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.552 0.625 -4.556 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.659 -1.385 -11.737 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.368 -1.447 -13.004 1.00 0.00 C ATOM 1488 C GLU A 104 -7.842 -0.051 -13.415 1.00 0.00 C ATOM 1489 O GLU A 104 -8.343 0.707 -12.587 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.543 -2.424 -12.928 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.254 -2.533 -14.279 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.770 -2.408 -14.111 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.402 -3.457 -13.861 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.262 -1.266 -14.238 1.00 0.00 O ATOM 0 H GLU A 104 -7.240 -1.548 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.680 -1.816 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.184 -3.407 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.249 -2.091 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.893 -1.752 -14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.013 -3.489 -14.745 1.00 0.00 H new